6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C17H11N3OS — CID 2099944

IUPAC6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H11N3OS/c21-16-12-10-14(11-6-2-1-3-7-11)22-17(12)20-15(19-16)13-8-4-5-9-18-13/h1-10H,(H,19,20,21)
InChIKeyIKCQYPIFZFLJAS-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.71
Rot. Bonds2

About 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2099944) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2099944
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Name6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccccn2)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H11N3OS/c21-16-12-10-14(11-6-2-1-3-7-11)22-17(12)20-15(19-16)13-8-4-5-9-18-13/h1-10H,(H,19,20,21)
InChIKeyIKCQYPIFZFLJAS-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268728
2-(3-hydroxyphenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268657
2-(1-chloroethyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82065003
2-methylsulfonyl-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 95528669
2-(1-chloro-2-pyridin-3-ylethenyl)-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 71901919
N,N-diethyl-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 159082705
2-[(pentylamino)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 39147152
propan-2-yl 2-(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
CID 2106367
2-[(3-chlorophenyl)methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28888382
5-(3-chlorophenyl)-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 79431642
2-[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268573
2-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]ethanethioamide
CID 39158891

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 2099944) is 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccccn2)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is IKCQYPIFZFLJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-16-12-10-14(11-6-2-1-3-7-11)22-17(12)20-15(19-16)13-8-4-5-9-18-13/h1-10H,(H,19,20,21).
What are the key properties of 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 305.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2099944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).